SCHEMBL17825436

SCHEMBL17825436

CCCOc1ccc(Br)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ TP53 P04637 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26635479 0.93 THRA (0.45) CA12CA1CA2CA7CA9
SCHEMBL26635406 0.88 THRA (0.51) LTA4HTP53THRATHRB
SCHEMBL26635301 0.88 THRA (0.51) LTA4HTP53THRATHRB
SCHEMBL20556591 0.85 RARB (0.44) CA12CA1CA2CA7CA9
SCHEMBL6322208 0.85 NQO1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL10763867 0.83 NPC1 (0.42) MAPTTHRATHRBMAPK1MAOB
SCHEMBL26586960 0.80 THRA (0.33) MAPTTHRATHRBMAPK1MAOB
SCHEMBL7423633 0.79 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL9931333 0.79 SMN1; SMN2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL23887132 0.78 SMN1; SMN2 (0.35) MAPTKMT2AMEN1MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 — — EP disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — WO disclosed
Send feedback